Compound Detail
CHEMBL1099304
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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCCCn2cc(COc3cccc(C(=O)NS(=O)(=O)CCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c3)nn2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1099304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKAZZHJGDKTRMN-ZXOSBWISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1843.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL2978 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | IC50 | = | 1.32 | nM | 8.88 | Displacement of [111In]DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J ce... | 20411957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20411957 | 10.1021/jm100246m | ADMET | 8 |
| 20411957 | 10.1021/jm100246m | Blood | 4 |
| 20411957 | 10.1021/jm100246m | Pancreas | 4 |
| 20411957 | 10.1021/jm100246m | Kidney | 4 |
| 20411957 | 10.1021/jm100246m | Liver | 4 |
| 20411957 | 10.1021/jm100246m | Stomach | 4 |
| 20411957 | 10.1021/jm100246m | No relevant target | 1 |
| 20411957 | 10.1021/jm100246m | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine